N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

C18H14ClF3N2S — CID 86630514

IUPACN-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14ClF3N2S/c1-11-16(10-12-3-2-4-13(9-12)18(20,21)22)25-17(23-11)24-15-7-5-14(19)6-8-15/h2-9H,10H2,1H3,(H,23,24)
InChIKeyGKABFMVTEOEUMH-UHFFFAOYSA-N
MW382.84 g/mol
LogP6.46
Rot. Bonds4

About N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 86630514) has the molecular formula C18H14ClF3N2S and a molecular weight of 382.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID86630514
Molecular FormulaC18H14ClF3N2S
Molecular Weight382.84 g/mol
Exact Mass382.05
IUPAC NameN-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14ClF3N2S/c1-11-16(10-12-3-2-4-13(9-12)18(20,21)22)25-17(23-11)24-15-7-5-14(19)6-8-15/h2-9H,10H2,1H3,(H,23,24)
InChIKeyGKABFMVTEOEUMH-UHFFFAOYSA-N
XLogP6.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.84
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 86630514) is N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is Cc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is GKABFMVTEOEUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2S/c1-11-16(10-12-3-2-4-13(9-12)18(20,21)22)25-17(23-11)24-15-7-5-14(19)6-8-15/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 382.84 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86630514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).